 David Sehnal
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6f17707e74
VolumeData and various tweaks
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%!s(int64=7) %!d(string=hai) anos |
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Alexander Rose
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bb81285b44
Merge branch 'master' into gl-new
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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e3a350deeb
Basic IHM support
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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22d208ff33
added Model.sequence
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%!s(int64=7) %!d(string=hai) anos |
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Alexander Rose
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64c211ceaa
wip, repr updating
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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5d022ffed5
Fixes to group bond computation
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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837f5eaef3
Compute bonds on unit level
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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e69b31bae7
Removed old grid lookup
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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a8070e4136
CIF parser now uses mol-task
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%!s(int64=7) %!d(string=hai) anos |
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arose
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501f5a2280
example of how to loop over bonds and create atom label
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%!s(int64=7) %!d(string=hai) anos |
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Alexander Rose
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1e92c78973
wip, adding bond and sec struct related code from molql
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%!s(int64=7) %!d(string=hai) anos |
